N-[(4-aminophenyl)methyl]-4-methylpiperidine-1-carboxamide

C14H21N3O — CID 79160564

IUPACN-[(4-aminophenyl)methyl]-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)NCc2ccc(N)cc2)CC1
InChIInChI=1S/C14H21N3O/c1-11-6-8-17(9-7-11)14(18)16-10-12-2-4-13(15)5-3-12/h2-5,11H,6-10,15H2,1H3,(H,16,18)
InChIKeyXXYFXOXYUGEWSY-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.21
Rot. Bonds2

About N-[(4-aminophenyl)methyl]-4-methylpiperidine-1-carboxamide

N-[(4-aminophenyl)methyl]-4-methylpiperidine-1-carboxamide (PubChem CID 79160564) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-4-methylpiperidine-1-carboxamide
PubChem CID79160564
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-[(4-aminophenyl)methyl]-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)NCc2ccc(N)cc2)CC1
InChIInChI=1S/C14H21N3O/c1-11-6-8-17(9-7-11)14(18)16-10-12-2-4-13(15)5-3-12/h2-5,11H,6-10,15H2,1H3,(H,16,18)
InChIKeyXXYFXOXYUGEWSY-UHFFFAOYSA-N
XLogP2.21
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-[(4-aminophenyl)methyl]-4-methylpiperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-4-methylpiperidine-1-carboxamide
CID 18715459
N-[(4-aminophenyl)methyl]pyrrolidine-1-carboxamide
CID 79161211
4-methyl-N-[(4-methylsulfonylphenyl)methyl]piperidine-1-carboxamide
CID 115584071
N-[(3-methoxy-4-methylphenyl)methyl]-4-methylpiperidine-1-carboxamide
CID 60570389
N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-4-methylpiperidine-1-carboxamide
CID 60610851
N-[[4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-4-oxoimidazolidine-1-carboxamide
CID 170180087
N-[[4-(2-aminoethyl)phenyl]methyl]pyrrolidine-1-carboxamide
CID 79161738
N-[4-(aminomethyl)phenyl]-4-methylpiperidine-1-carboxamide
CID 43133019
4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide
CID 92731401
N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-4-methylpiperidine-1-carboxamide
CID 60551160
N-benzyl-4-hydroxy-3-methylpiperidine-1-carboxamide
CID 104954561
2-(4-aminophenyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 119845145

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-4-methylpiperidine-1-carboxamide (CID 79160564) is N-[(4-aminophenyl)methyl]-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-4-methylpiperidine-1-carboxamide is CC1CCN(C(=O)NCc2ccc(N)cc2)CC1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-4-methylpiperidine-1-carboxamide?
The InChIKey is XXYFXOXYUGEWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11-6-8-17(9-7-11)14(18)16-10-12-2-4-13(15)5-3-12/h2-5,11H,6-10,15H2,1H3,(H,16,18).
What are the key properties of N-[(4-aminophenyl)methyl]-4-methylpiperidine-1-carboxamide?
N-[(4-aminophenyl)methyl]-4-methylpiperidine-1-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 79160564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).